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OALib Journal期刊
ISSN: 2333-9721
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磷灰石晶体构型及其与生物分子相互作用的计算模拟研究
, PP. 737-746
Keywords: 磷灰石,晶体结构,替代,计算化学
Abstract:
生物磷灰石是动物和人体骨骼及牙釉质的主要无机矿物成分,磷灰石矿物晶体的组成和结构影响了骨及牙釉质的机械强度和生理功能。羟基磷灰石空间群的确定一直存在争议,其中羟基存在两种不同排列方式,使得其具有六方和单斜两种晶相。另外,磷灰石晶体结构中的类质同象替换,影响了其结构、物理和化学特性。本文综述了计算机模拟方法在原子及分子水平上对磷灰石晶体的空间群确定、磷灰石替代机制、小分子及生物大分子相互作用的研究,对磷灰石晶体化学、界面化学及开发生物材料的深入研究具有一定的科学意义和较强的应用价值。
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